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Related entries of code: 3td4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3td4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOuter membrane protein omp38
Ligand NameAPI
EC.Number E.C.-.-.-.-
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)Kd=2.2uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Faseb J. Vol. 26: pp. 219-228
Ligand Properties
Formula C7H16N2O4
Molecular Weight 192.213
Exact Mass 192.111
No. of atoms 29
No. of bonds 28
Polar Surface Area 129.88
LOGP Value -4.12      (Computed with XLOGP3)
-2.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q6RYW5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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